SCHEMBL20691971

SCHEMBL20691971

N#CCCOP(O)OCC1CC(n2cnc3c(Cl)ncnc32)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 6/20 0.35
▸ TYMP P19971 1/20 0.34
▸ P2RY1 P47900 1/20 0.32
▸ ADORA2A P29274 4/20 0.32
▸ ADORA3 P0DMS8 3/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PI4K2B Q8TCG2 1/20 0.31
▸ PI4K2A Q9BTU6 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20691937 0.81 P2RY1 (0.36) ADCY5TYMPP2RY1DGAT1
SCHEMBL20691939 0.81 P2RY1 (0.40) ADCY5P2RY1DGAT1
SCHEMBL20692131 0.73 SLC29A1 (0.35) TYMP
SCHEMBL9471687 0.73 ADCY5 (0.44) ADCY5TYMPP2RY1ADORA2AADORA3
SCHEMBL21637026 0.70 BCHE (0.46) P2RY1ADORA2AADORA3ADORA1ADORA2B
SCHEMBL9685305 0.70 ADCY5 (0.48) ADCY5ADORA2AADORA3ADORA1ADORA2B
SCHEMBL9469908 0.69 ADORA2A (0.46) TYMPADORA2AADORA3ADORA1ADORA2B
SCHEMBL10475247 0.69 ADCY5 (0.55) ADCY5ADORA2AADORA3ADORA1ADORA2B
SCHEMBL9685291 0.68 ADCY5 (0.48) ADCY5ADORA2AADORA3ADORA1ADORA2B
SCHEMBL20927097 0.68 ALDH1A1 (0.37) ADORA3ADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 — — EP disclosed
EP-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 — — WO disclosed
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